N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C24H23N5O3 — CID 56662005

IUPACN-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-20(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)18-14-17-6-2-3-7-19(17)25-15-18/h2-9,14-16H,10-13H2,1H3,(H,26,30)
InChIKeyZZXCJNDYPTUZGW-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.70
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56662005) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56662005
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-20(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)18-14-17-6-2-3-7-19(17)25-15-18/h2-9,14-16H,10-13H2,1H3,(H,26,30)
InChIKeyZZXCJNDYPTUZGW-UHFFFAOYSA-N
XLogP4.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56662005) is N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZZXCJNDYPTUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-20(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)18-14-17-6-2-3-7-19(17)25-15-18/h2-9,14-16H,10-13H2,1H3,(H,26,30).
What are the key properties of N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56662005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).